Version2.0 2020-07-20T04:57:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)Nc2[n+](c(cs2)c3ccc(cc3)S(=O)(=O)N4CCCCC4)CCN5CCOCC5 C39835108 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)Nc2[n+](c(cs2)c3ccc(cc3)S(=O)(=O)N4CCCCC4)CCN5CCOCC5 C01[X(C27H35N4O3S2)] 207 C1 618 Cc1ccc(cc1)Nc1scc([n+]1CCN1CCOCC1)c1ccc(cc1)S(=O)(=O)N1CCCCC1 Cc1ccc(cc1)Nc1scc([n+]1CCN1CCOCC1)c1ccc(cc1)S(=O)(=O)N1CCCCC1 Cc1ccc(Nc2scc(c3ccc(cc3)[S](=O)(=O)N4CCCCC4)[n+]2CCN5CCOCC5)cc1 InChIKey=SFXHVUIBWOAKLR-UHFFFAOYSA-O InChI=1S/C27H34N4O3S2/c1-22-5-9-24(10-6-22)28-27-31(16-15-29-17-19-34-20-18-29)26(21-35-27)23-7-11-25(12-8-23)36(32,33)30-13-3-2-4-14-30/h5-12,21H,2-4,13-20H2,1H3/p+1 InChI=1/C27H34N4O3S2/c1-22-5-9-24(10-6-22)28-27-31(16-15-29-17-19-34-20-18-29)26(21-35-27)23-7-11-25(12-8-23)36(32,33)30-13-3-2-4-14-30/h5-12,21H,2-4,13-20H2,1H3/p+1/fC27H35N4O3S2/h28H/q+1 Cc1ccc(cc1)Nc2[n+](c(cs2)c3ccc(cc3)S(=O)(=O)N4CCCCC4)CCN5CCOCC5 C01[X(C27H35N4O3S2)] 207 C01 618 Cc1ccc(cc1)Nc1scc([n+]1CCN1CCOCC1)c1ccc(cc1)S(=O)(=O)N1CCCCC1 C[C]1[CH][CH][C]([CH][CH]1)[NH][C]1SC=C([N]1CCN1CCOCC1)[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)N1CCCCC1 C[C]1[CH][CH][C]([CH][CH]1)N[C]2SC=C([C]3[CH][CH][C]([CH][CH]3)[S](=O)(=O)N4CCCCC4)N2CCN5CCOCC5 InChIKey=BAHMVAYKLSAOFD-UHFFFAOYSA-N InChI=1S/C27H35N4O3S2/c1-22-5-9-24(10-6-22)28-27-31(16-15-29-17-19-34-20-18-29)26(21-35-27)23-7-11-25(12-8-23)36(32,33)30-13-3-2-4-14-30/h5-12,21,28H,2-4,13-20H2,1H3 InChI=1/C27H35N4O3S2/c1-22-5-9-24(10-6-22)28-27-31(16-15-29-17-19-34-20-18-29)26(21-35-27)23-7-11-25(12-8-23)36(32,33)30-13-3-2-4-14-30/h5-12,21,28H,2-4,13-20H2,1H3 4213.6253320927 -2279.9453888 1-A 30655.7090 140 478 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 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0.674511 0.675455 0.570973 -2279.302827 -2279.270878 -2279.269934 -2279.374415 3.504310D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE Cc1ccc(cc1)Nc2[n+](c(cs2)c3ccc(cc3)S(=O)(=O)N4CCCCC4)CCN5CCOCC5 C39835108 RHF 6-31G(d) (6D,10F) C1 527.215060 |X|Y|Z| 80.140910 31.461871 152.457087 72.710223 33 6 7 8 16 26 4 1 2 |36.858105| |12.618285|36.858105| |7.549005|13.686454|36.858105| |5.012585|7.884774|13.773429|36.858105| |4.440163|6.850427|7.972598|13.758637|36.858105| |5.013020|7.884511|6.879528|7.917725|13.757861|36.858105| |7.550286|13.685415|7.964758|6.879885|7.972937|13.774480|36.858105| |3.323641|4.511770|5.137190|7.795561|13.214836|7.795829|5.137441|53.358707| |2.897242|3.745019|4.177706|5.760509|7.815756|5.795549|4.191408|19.636417|36.858105| |2.415892|2.981672|3.271506|4.219136|5.181426|4.244875|3.283633|11.055048|14.377123|53.358707| |2.189268|2.626462|2.842015|3.485111|4.041519|3.502517|2.851673|7.286980|8.315847|18.278186|36.858105| |2.337011|2.806058|3.022615|3.649674|4.169946|3.667593|3.033182|6.920565|7.792569|11.372254|14.380243|36.858105| |2.973026|3.764008|4.109143|5.188392|6.220320|5.218527|4.124917|9.681885|11.043123|10.183521|7.439068|10.915762|388.023441| |1.871663|2.184829|2.339886|2.774112|3.113309|2.784899|2.346494|5.332135|5.173854|10.236814|12.798333|7.582789|33.705346|36.858105| |1.739083|2.003573|2.172476|2.547551|2.745821|2.434395|2.101569|4.552220|4.181765|7.513349|7.654415|5.763377|28.087924|13.715462|36.858105| |1.546034|1.753066|1.880493|2.159029|2.307073|2.088962|1.834023|3.721528|3.248980|5.540908|5.061097|4.147508|21.942525|7.924485|13.750544|36.858105| |1.473567|1.662704|1.756331|1.997587|2.164614|2.002066|1.759446|3.471776|2.984683|5.052562|4.478159|3.696165|20.025968|6.888369|7.956585|13.750018|36.858105| |1.550299|1.760198|1.839248|2.098560|2.328110|2.181052|1.893793|3.775857|3.282378|5.663243|5.054555|4.058512|21.755661|7.924768|6.857429|7.903237|13.728168|36.858105| |1.744762|2.013689|2.109072|2.449126|2.780339|2.582568|2.192126|4.650221|4.250982|7.819635|7.624188|5.528897|27.687572|13.694810|7.915194|6.857127|7.956154|13.771566|36.858105| |1.295546|1.440120|1.511597|1.689005|1.805803|1.691638|1.513536|2.820615|2.338731|3.772510|3.153397|2.753129|15.846455|4.184272|4.714550|6.927327|10.657008|6.921808|4.714675|388.023441| |1.263325|1.401499|1.458428|1.623407|1.750597|1.658805|1.483826|2.729687|2.231273|3.579404|2.901669|2.528236|14.906031|3.720909|3.864928|5.003450|7.406063|6.531368|4.452926|94.907456|73.516695| |1.261056|1.397901|1.479575|1.652014|1.741431|1.615968|1.453714|2.708393|2.220562|3.547084|2.903465|2.550720|14.970783|3.721483|4.454050|6.538541|7.407170|4.999843|3.864508|94.893391|13.585492|73.516695| |1.234962|1.361830|1.421011|1.569888|1.669241|1.578971|1.427771|2.559488|2.122246|3.330450|2.826931|2.582498|14.894769|3.597031|3.981010|5.349531|6.913967|5.349463|3.982753|83.359397|13.722589|13.722110|53.358707| |1.225371|1.347538|1.391734|1.528482|1.637938|1.570635|1.423218|2.493636|2.065567|3.205425|2.722251|2.530093|14.669975|3.378510|3.494095|4.289681|5.559262|5.141382|3.911572|50.760037|11.649917|8.850740|17.651892|36.858105| |1.128549|1.229311|1.265066|1.374496|1.460092|1.408559|1.291384|2.188509|1.789587|2.716096|2.268087|2.159190|12.853678|2.692878|2.795083|3.297426|3.901218|3.644942|2.998277|34.584651|8.204444|7.016772|10.594904|12.482691|36.858105| |1.116355|1.212385|1.252906|1.357220|1.427839|1.371078|1.263795|2.126128|1.741162|2.618452|2.200819|2.131739|12.696036|2.579324|2.750085|3.219131|3.564388|3.220069|2.751637|30.083539|6.622080|6.622011|9.008796|7.547534|12.462573|36.858105| |1.127001|1.226958|1.278989|1.391961|1.454846|1.381982|1.271353|2.177599|1.784185|2.702070|2.269236|2.173541|12.896908|2.693461|2.997218|3.644628|3.901837|3.298291|2.796756|34.584398|7.016498|8.204247|10.594981|6.510987|7.589960|12.462553|36.858105| |1.223409|1.344470|1.410128|1.552339|1.630619|1.534419|1.396815|2.477703|2.057360|3.182683|2.724212|2.553003|14.733588|3.379644|3.910107|5.141009|5.561080|4.291305|3.496713|50.760633|8.850998|11.648246|17.653091|7.673064|6.511029|7.547467|12.482560|36.858105| |2.209791|2.678496|2.922872|3.685953|4.396750|3.697897|2.928819|8.966238|7.724284|17.530689|7.454701|5.173611|34.052131|6.325997|5.052773|4.021183|3.772810|4.209313|5.436724|20.416061|4.955694|4.851040|3.325641|2.323343|1.961926|1.867130|1.941086|2.289320|36.858105| |2.122314|2.541331|2.859532|3.601793|3.960340|3.237904|2.667961|7.466571|5.825826|10.349608|5.543088|4.232713|28.579885|5.098715|4.792906|3.919603|3.501431|3.605467|4.248016|19.644463|4.678123|4.889105|3.176412|2.162930|1.850119|1.784215|1.890399|2.227344|12.436083|36.858105| |1.930337|2.263627|2.499054|3.026255|3.286179|2.810572|2.374014|5.753339|4.209070|6.908019|4.061088|3.259102|22.218656|4.019295|3.870183|3.451737|3.222658|3.298972|3.656976|19.017555|4.655641|4.791255|3.030921|2.060311|1.773634|1.694582|1.797031|2.096838|7.842376|13.205548|53.358707| |1.731739|1.990037|2.200640|2.595800|2.715047|2.353536|2.047905|4.497353|3.343950|5.332736|3.421115|2.832811|18.976989|3.548232|3.677148|3.444901|3.159697|3.070086|3.230524|19.371737|4.677178|5.089605|3.057563|2.034033|1.763802|1.697256|1.829406|2.135376|5.190627|7.844407|17.748994|36.858105| |1.583779|1.792651|1.948592|2.241149|2.344723|2.092346|1.848870|3.757370|2.739525|4.240390|2.773971|2.357763|15.968028|2.901087|2.962899|2.894065|2.773827|2.717994|2.774288|17.886979|4.455800|4.704093|2.833571|1.899573|1.665422|1.589616|1.704856|1.958065|3.991955|5.079269|10.641070|12.532729|36.858105| |1.643849|1.857699|2.015261|2.303991|2.401395|2.152829|1.912201|3.785225|2.659255|3.973190|2.541549|2.202307|15.404521|2.566649|2.558182|2.455786|2.370175|2.373022|2.464484|15.315036|3.847145|3.960053|2.488757|1.697681|1.504470|1.438132|1.525510|1.727758|3.693231|4.554388|9.233170|7.933206|13.618090|73.516695| |1.797088|2.056125|2.216507|2.562012|2.737296|2.459173|2.149114|4.387161|3.001700|4.460504|2.750462|2.367242|16.841590|2.711946|2.608494|2.451600|2.390986|2.465558|2.624436|15.131659|3.835031|3.816537|2.472371|1.710725|1.509171|1.435083|1.505616|1.705613|4.305037|5.077920|10.631094|6.777449|8.211545|24.286114|36.858105| |2.036301|2.389652|2.631067|3.163679|3.421795|2.947270|2.503123|5.788895|3.884623|5.816270|3.378240|2.851509|20.568086|3.209828|3.042024|2.744177|2.611939|2.710342|2.994963|15.914935|3.955283|3.988476|2.605383|1.800747|1.576104|1.507636|1.582816|1.810672|5.985440|7.857959|17.794436|7.930437|6.790324|14.129346|12.519740|36.858105| |17.543965|8.881179|6.267683|4.452866|3.996162|4.462422|6.292962|4.197603|2.659700|3.072862|2.032883|2.132386|18.802225|1.759807|1.641246|1.470044|1.406429|1.477624|1.651436|8.851090|2.167154|2.159473|1.609864|1.172213|1.081206|1.066975|1.078240|1.168474|2.111615|2.045452|2.572755|1.700255|1.570270|2.926511|1.803168|2.022992|0.500000| |17.587945|8.844757|5.646459|4.198779|3.971787|4.704791|7.091512|4.171706|2.736040|3.134167|2.115422|2.274700|20.386782|1.817004|1.679894|1.499748|1.438985|1.521168|1.709756|9.019686|2.204971|2.183719|1.654852|1.214055|1.121151|1.107940|1.112320|1.202981|2.097221|1.986637|2.466664|1.627676|1.495745|2.746856|1.688002|1.896915|0.302057|0.500000| |17.589143|8.844032|7.106052|4.709024|3.971473|4.195165|5.638369|4.171474|2.731577|3.128603|2.110874|2.268616|20.327131|1.813606|1.704706|1.517238|1.437076|1.499276|1.679036|9.010289|2.184764|2.203080|1.649826|1.198828|1.107705|1.101801|1.115365|1.208447|2.095639|2.041472|2.520861|1.681350|1.533711|2.817011|1.712831|1.937530|0.302040|0.301506|0.500000| |6.997797|8.905042|17.724248|8.961719|5.669203|4.955959|5.654264|5.677337|3.553010|3.940056|2.570167|2.728893|25.263979|2.158709|2.042659|1.782919|1.657126|1.715506|1.942678|10.234262|2.459475|2.523450|1.847677|1.324208|1.210316|1.204979|1.234452|1.355649|2.623927|2.636711|3.171392|2.096275|1.863733|3.427346|2.087718|2.447463|0.167919|0.143347|0.213422|0.500000| |4.086878|5.619610|8.906817|17.718981|8.910797|5.637332|4.955704|9.751923|5.671785|5.895123|3.583025|3.691381|35.496572|2.872421|2.698536|2.272142|2.068263|2.140509|2.484909|12.408636|2.956156|3.065956|2.196172|1.554515|1.395791|1.384275|1.432092|1.604565|3.828580|3.959959|4.440093|2.831580|2.396958|4.355839|2.685321|3.370841|0.103787|0.096733|0.111701|0.215828|0.500000| |4.087176|5.619327|4.955629|5.637706|8.911648|17.720249|8.906332|9.753978|5.730938|5.962652|3.616345|3.723640|35.824918|2.893538|2.474387|2.133646|2.077021|2.303905|2.750218|12.444976|3.079521|2.940437|2.220042|1.635883|1.460977|1.410588|1.412920|1.569917|3.852786|3.224241|3.853073|2.346380|2.103584|3.833569|2.487017|2.949781|0.104071|0.111556|0.096630|0.107579|0.124057|0.500000| |7.000004|8.904828|5.654317|4.956107|5.669274|8.962050|17.723785|5.677527|3.567886|3.960337|2.582809|2.742615|25.391402|2.167896|1.940388|1.713808|1.661752|1.796342|2.061961|10.255261|2.529224|2.452236|1.861988|1.373542|1.252191|1.222356|1.222254|1.334719|2.631563|2.381851|2.935094|1.874797|1.715264|3.154433|1.989946|2.270797|0.169066|0.212490|0.143052|0.124135|0.107579|0.215803|0.500000| |3.051449|4.002948|4.514522|6.428085|9.076444|6.337265|4.482673|26.009131|9.531818|10.114161|4.829885|4.320255|37.791254|3.765199|3.256321|2.709610|2.546659|2.763606|3.349422|14.828831|3.619244|3.579032|2.541109|1.809389|1.585618|1.531920|1.574908|1.793691|7.468351|6.388095|6.858771|3.739419|3.116031|5.685495|3.839236|5.342704|0.080903|0.077934|0.078127|0.105225|0.173594|0.169598|0.104297|0.500000| |2.171116|2.543442|2.706316|3.147000|3.477481|3.162005|2.716219|5.433270|5.457942|7.824071|8.878625|17.814554|54.882821|6.631620|5.488638|4.118899|3.677230|3.963391|5.134959|19.725441|4.468829|4.540855|3.657155|2.656866|2.280561|2.282762|2.311260|2.705201|4.088850|3.505905|3.831270|2.523688|2.137082|3.538536|2.110347|2.479642|0.054981|0.059271|0.059089|0.069034|0.088315|0.089061|0.069411|0.096737|0.500000| |1.798816|2.075854|2.288600|2.699008|2.839815|2.468319|2.143774|4.664812|4.270792|7.318888|7.079463|5.802371|29.275401|8.898207|17.724119|8.928292|5.656091|4.944437|5.633028|27.739621|5.762807|6.929644|4.657736|3.009925|2.501389|2.519828|2.770998|3.511199|4.773225|4.879321|5.203487|3.703986|2.923974|4.521846|2.568796|3.034782|0.047012|0.047941|0.049368|0.060277|0.081059|0.068369|0.054486|0.091805|0.153253|0.500000| |1.466926|1.649890|1.777013|2.022723|2.123051|1.920312|1.706851|3.364789|2.870576|4.716650|4.118310|3.543745|19.588167|5.639177|8.907150|17.759572|8.924027|5.636381|4.947384|47.132344|8.199362|13.345173|7.218609|4.027857|3.224268|3.251493|3.871694|5.549000|3.455192|3.539126|4.342253|3.323930|2.819395|4.230068|2.324960|2.567585|0.038845|0.039445|0.040224|0.047273|0.059582|0.053978|0.044329|0.068277|0.098901|0.214946|0.500000| |1.473248|1.660264|1.716442|1.936551|2.151932|2.050859|1.794120|3.435906|2.911049|4.850317|4.111426|3.446170|19.352171|5.638551|4.947562|5.637215|8.916733|17.760000|8.914286|47.092997|13.318438|8.192091|7.222017|5.555048|3.874564|3.254252|3.226270|4.030868|3.669952|3.149637|4.060527|2.782634|2.547544|4.000362|2.345686|2.518590|0.039164|0.040346|0.039462|0.044484|0.054390|0.060672|0.047730|0.070271|0.094051|0.107442|0.124185|0.500000| |1.809877|2.095737|2.162021|2.501888|2.908130|2.765068|2.324231|4.855762|4.403073|7.839264|7.035295|5.397693|28.485626|8.885416|5.632068|4.943769|5.655528|8.938194|17.717496|27.740305|6.927066|5.761419|4.661235|3.514683|2.773511|2.522630|2.503827|3.013130|5.385622|3.978560|4.731747|2.990620|2.621359|4.240726|2.594728|2.951705|0.047563|0.049574|0.047960|0.054757|0.069183|0.083801|0.061202|0.096742|0.136816|0.123851|0.107430|0.215190|0.500000| |1.293059|1.426672|1.471341|1.618965|1.743153|1.674038|1.512161|2.656584|2.229251|3.461302|3.014616|2.835971|16.097074|3.761984|3.802872|4.516687|5.751768|5.631416|4.400862|43.124839|9.650051|7.797760|12.318494|17.469522|8.827157|6.755733|5.681226|6.863339|2.451197|2.245240|2.859237|2.044308|1.885015|3.012023|1.722528|1.835947|0.034201|0.035664|0.035122|0.038756|0.045595|0.048544|0.040523|0.053046|0.084238|0.090063|0.113720|0.163917|0.109818|0.500000| |1.221336|1.344228|1.383044|1.519876|1.639342|1.579430|1.427259|2.504064|2.060301|3.209668|2.678373|2.455147|14.400858|3.312267|3.322683|4.010820|5.406343|5.378419|3.985102|49.990997|14.163900|8.447291|12.464060|17.673359|8.853830|5.511102|4.909529|5.623574|2.366810|2.182609|2.867869|2.068086|1.953823|3.106717|1.768889|1.846399|0.032554|0.033632|0.033055|0.036440|0.042779|0.045986|0.038364|0.050817|0.070405|0.078992|0.102618|0.177621|0.101692|0.300446|0.500000| |1.118376|1.214994|1.242558|1.344149|1.432461|1.393291|1.280904|2.134917|1.740972|2.619921|2.179165|2.095872|12.582763|2.540924|2.570901|2.934917|3.444248|3.380481|2.855237|28.546592|7.095430|5.851926|7.675959|8.914605|17.547743|8.797254|5.507986|4.880883|1.882114|1.757353|2.291726|1.658375|1.570817|2.546064|1.446708|1.510135|0.029751|0.030986|0.030441|0.032964|0.037696|0.040301|0.034667|0.042853|0.061650|0.064166|0.078476|0.101636|0.075186|0.216598|0.212281|0.500000| |1.077444|1.170755|1.205119|1.307143|1.384980|1.335990|1.227535|2.073424|1.679736|2.545635|2.090789|1.976272|11.930165|2.465943|2.570575|3.042864|3.587529|3.324948|2.734634|33.618951|8.348266|7.055466|9.502468|8.918334|17.551495|8.838904|6.816467|5.711948|1.865227|1.775456|2.347374|1.730210|1.653000|2.651074|1.487066|1.537273|0.028780|0.029692|0.029372|0.032092|0.036919|0.038454|0.033086|0.041996|0.057284|0.064356|0.083899|0.099119|0.070562|0.174095|0.218676|0.302369|0.500000| |1.160460|1.261297|1.302085|1.409777|1.484454|1.427303|1.315864|2.205148|1.818747|2.723257|2.320272|2.282613|13.473910|2.701471|2.858200|3.268048|3.551886|3.269647|2.860297|27.781653|6.079177|6.078803|7.854669|6.773679|8.845460|17.496409|8.845418|6.773537|1.910474|1.811789|2.314352|1.688120|1.567492|2.532157|1.429550|1.514519|0.030690|0.032057|0.031842|0.034745|0.039862|0.040784|0.035355|0.043812|0.069030|0.072944|0.090342|0.090448|0.073049|0.198072|0.138997|0.214822|0.173561|0.500000| |1.053686|1.137827|1.172780|1.262555|1.322933|1.275370|1.183038|1.954434|1.586623|2.361440|1.959144|1.911218|11.584107|2.250060|2.382189|2.730357|2.972061|2.730958|2.383326|24.783487|5.648370|5.648464|6.723861|5.499823|8.825417|17.563735|8.825503|5.499814|1.687880|1.620719|2.107479|1.554572|1.467238|2.374801|1.330817|1.390428|0.028023|0.029091|0.028926|0.031422|0.035719|0.036392|0.031881|0.039151|0.056659|0.061509|0.077084|0.077137|0.061569|0.138855|0.123616|0.210058|0.214528|0.303335|0.500000| |1.115802|1.211113|1.265388|1.372456|1.424011|1.350081|1.247964|2.117664|1.732485|2.598473|2.180914|2.118480|12.652420|2.541766|2.854359|3.380104|3.444981|2.935933|2.572633|28.546364|5.851767|7.095017|7.676006|4.880864|5.507964|8.797178|17.547579|8.914420|1.850906|1.817524|2.338871|1.754516|1.628541|2.601951|1.441359|1.520280|0.029614|0.030576|0.030797|0.034067|0.039322|0.038136|0.033292|0.042387|0.063013|0.075114|0.101549|0.078528|0.064233|0.127435|0.107877|0.123165|0.139371|0.214820|0.210059|0.500000| |1.076024|1.168613|1.217778|1.322941|1.380261|1.312078|1.209400|2.063648|1.675028|2.533463|2.091731|1.987838|11.966514|2.466405|2.734117|3.325327|3.588015|3.043070|2.571653|33.618444|7.054637|8.348795|9.502439|5.711855|6.816482|8.838964|17.551483|8.918347|1.846353|1.812891|2.378186|1.795450|1.693643|2.689444|1.483481|1.543826|0.028704|0.029468|0.029567|0.032705|0.037834|0.037255|0.032332|0.041724|0.057945|0.070521|0.099092|0.083923|0.064400|0.131583|0.128976|0.139372|0.200255|0.173561|0.214533|0.302368|0.500000| |1.218086|1.339138|1.413639|1.559731|1.627110|1.519227|1.383521|2.477228|2.046711|3.171709|2.681473|2.490431|14.501854|3.314013|3.985099|5.380443|5.409010|4.011785|3.324865|49.990438|8.446978|14.160947|12.464437|5.623506|4.909559|5.511095|8.853880|17.673180|2.307556|2.296981|2.958640|2.256831|2.064290|3.206340|1.759454|1.864400|0.032380|0.033126|0.033495|0.037895|0.045114|0.042937|0.036581|0.050070|0.072383|0.101639|0.177536|0.102657|0.079055|0.141409|0.127382|0.107877|0.128978|0.138995|0.123617|0.212280|0.218680|0.500000| |1.290629|1.422833|1.494405|1.649071|1.733851|1.628015|1.478873|2.636279|2.218379|3.431143|3.017463|2.870252|16.186175|3.763691|4.397837|5.628219|5.754007|4.520199|3.807065|43.125795|7.798622|9.648007|12.318928|6.863266|5.681107|6.755488|8.827019|17.469314|2.409151|2.321898|2.915108|2.153637|1.945559|3.068300|1.717027|1.847088|0.034074|0.035281|0.035455|0.039843|0.047341|0.046212|0.039168|0.052506|0.086371|0.109638|0.163565|0.113862|0.090202|0.201653|0.141410|0.127433|0.131582|0.198061|0.138852|0.216595|0.174094|0.300448|0.500000| |1.987951|2.359005|2.527056|3.072678|3.592758|3.170381|2.580295|6.700521|5.811257|12.490178|7.203254|4.859655|29.542671|7.402752|5.634989|4.625661|4.533167|5.291283|6.977983|23.680829|5.823674|5.496425|3.745104|2.611723|2.160841|2.026372|2.105204|2.516178|17.710756|8.886379|9.646881|5.073683|4.039019|6.394114|4.094980|5.197161|0.052908|0.052976|0.052527|0.063748|0.087835|0.093318|0.065751|0.148386|0.111013|0.136751|0.106575|0.126153|0.187849|0.076346|0.074789|0.057352|0.057059|0.057304|0.050499|0.055093|0.055658|0.070119|0.073107|0.500000| |2.320182|2.834145|3.038625|3.819287|4.754381|4.098433|3.172750|9.797836|7.211172|12.450188|5.721670|4.418981|31.607096|4.865034|3.964835|3.320793|3.222571|3.643348|4.547238|18.185519|4.521173|4.305219|3.004584|2.132636|1.822973|1.726343|1.776460|2.059950|17.623649|8.716310|9.668969|4.642595|3.823537|6.634468|4.621224|6.460069|0.062088|0.061175|0.060238|0.074664|0.106604|0.121950|0.079385|0.253247|0.099319|0.104630|0.080847|0.092099|0.133216|0.062257|0.060894|0.049017|0.048367|0.048988|0.043683|0.047056|0.047180|0.057361|0.059801|0.305897|0.500000| |2.334967|2.837915|3.299002|4.307456|4.580814|3.553797|2.923269|8.666426|6.248773|9.516943|5.033251|4.136124|30.158570|4.331951|4.131221|3.381235|3.001405|3.068717|3.595261|17.251741|4.093856|4.321284|2.863702|1.962949|1.704345|1.660217|1.754782|2.040256|8.756912|17.429721|12.240888|6.397737|4.428120|7.529276|4.713304|7.420315|0.062437|0.059835|0.062588|0.084549|0.137675|0.094991|0.071075|0.209556|0.094978|0.122318|0.086797|0.075443|0.095291|0.056771|0.054646|0.045171|0.045399|0.047036|0.042162|0.047308|0.046698|0.058417|0.059356|0.173386|0.203570|0.500000| |1.982545|2.341552|2.635415|3.254533|3.479979|2.886612|2.429475|6.237621|5.187628|9.417180|5.859840|4.408343|27.841294|5.812340|6.003207|4.754446|3.997717|3.928316|4.548621|21.880047|5.050117|5.547527|3.495198|2.329954|1.978628|1.923135|2.067143|2.476652|8.945357|17.598123|12.518844|7.724619|4.849756|7.284765|4.241362|5.753089|0.052801|0.051794|0.053558|0.068520|0.100367|0.079537|0.060660|0.137294|0.103335|0.176374|0.119823|0.092527|0.112092|0.067139|0.064580|0.051682|0.052609|0.054225|0.048222|0.055308|0.054873|0.071821|0.072013|0.218595|0.173624|0.303505|0.500000| |1.768546|2.027949|2.276794|2.684170|2.728071|2.333895|2.052185|4.428310|3.244229|4.980221|3.209000|2.732982|18.697026|3.235649|3.412819|3.158823|2.835585|2.726266|2.884325|17.550746|4.179425|4.659920|2.835309|1.886850|1.655557|1.612315|1.742915|2.017794|4.540731|6.960094|12.238104|17.444060|8.883129|12.528766|5.846414|6.998619|0.048292|0.045833|0.048039|0.060977|0.083084|0.063536|0.051860|0.101360|0.067934|0.099216|0.086456|0.068601|0.074380|0.052836|0.052772|0.043283|0.045052|0.044692|0.041209|0.046898|0.047456|0.059487|0.056807|0.117985|0.113858|0.182154|0.195627|0.500000| 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|1.482090|1.660799|1.805939|2.051925|2.114732|1.895947|1.697386|3.321630|2.435416|3.719619|2.497414|2.159364|14.585674|2.631867|2.753337|2.743727|2.613026|2.504604|2.511698|17.319384|4.279165|4.664048|2.760502|1.834858|1.623752|1.559581|1.686036|1.925155|3.344057|4.173977|7.679639|8.856559|17.626331|16.905899|5.895876|5.052131|0.040851|0.038912|0.040118|0.048460|0.061173|0.052658|0.043883|0.075067|0.055096|0.076278|0.076073|0.065407|0.065476|0.050218|0.052161|0.042375|0.045021|0.042521|0.040145|0.044907|0.046837|0.056931|0.052760|0.094159|0.088271|0.104745|0.115985|0.217544|0.210478|0.500000| |1.527456|1.725536|1.852623|2.120900|2.253618|2.041317|1.799109|3.621863|2.674133|4.202417|2.783642|2.346106|15.658357|2.980183|3.002622|2.994729|2.962464|2.935448|2.942198|19.301374|4.926746|5.015067|3.005617|2.019887|1.758163|1.657575|1.770757|2.038851|3.995944|4.711744|9.516537|8.872516|17.515548|16.544304|7.319237|5.911679|0.042006|0.040355|0.040936|0.048932|0.062129|0.057774|0.046713|0.082918|0.059292|0.080093|0.080052|0.077493|0.077465|0.055331|0.058403|0.046054|0.048670|0.045190|0.042404|0.046559|0.049035|0.059408|0.055865|0.117853|0.107098|0.110486|0.125439|0.173943|0.217546|0.300353|0.500000| 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